2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione

C14H23N3O2S — CID 82457555

IUPAC2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione
SMILESOCCOCCNc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H23N3O2S/c18-7-9-19-8-6-15-12-10-13(20)17-14(16-12)11-4-2-1-3-5-11/h10-11,18H,1-9H2,(H2,15,16,17,20)
InChIKeySRHVPBADNCPOIH-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.61
Rot. Bonds7

About 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione

2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione (PubChem CID 82457555) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione
PubChem CID82457555
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione
SMILESOCCOCCNc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H23N3O2S/c18-7-9-19-8-6-15-12-10-13(20)17-14(16-12)11-4-2-1-3-5-11/h10-11,18H,1-9H2,(H2,15,16,17,20)
InChIKeySRHVPBADNCPOIH-UHFFFAOYSA-N
XLogP2.61
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione (CID 82457555) is 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione is OCCOCCNc1cc(=S)nc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
The InChIKey is SRHVPBADNCPOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c18-7-9-19-8-6-15-12-10-13(20)17-14(16-12)11-4-2-1-3-5-11/h10-11,18H,1-9H2,(H2,15,16,17,20).
What are the key properties of 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione?
2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione has a molecular weight of 297.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).